2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;2-(4-methoxy-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylnaphthalen-1-yl)benzo[g]quinazolin-3-ium;3-methyl-7-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium

C100H87F3N8O+4 — CID 162205197

About 2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;2-(4-methoxy-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylnaphthalen-1-yl)benzo[g]quinazolin-3-ium;3-methyl-7-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium

2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;2-(4-methoxy-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylnaphthalen-1-yl)benzo[g]quinazolin-3-ium;3-methyl-7-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium (PubChem CID 162205197) has the molecular formula C100H87F3N8O+4 and a molecular weight of 1473.84 g/mol. Its IUPAC name is 2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;2-(4-methoxy-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylnaphthalen-1-yl)benzo[g]quinazolin-3-ium;3-methyl-7-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium.

Molecular Properties

• Compound Name: 2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;2-(4-methoxy-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylnaphthalen-1-yl)benzo[g]quinazolin-3-ium;3-methyl-7-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium
• PubChem CID: 162205197
• Molecular Formula: C100H87F3N8O+4
• Molecular Weight: 1473.84 g/mol
• Exact Mass: 1472.69
• IUPAC Name: 2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;2-(4-methoxy-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylnaphthalen-1-yl)benzo[g]quinazolin-3-ium;3-methyl-7-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium
• SMILES: COc1cc(-c2nc3cc4ccccc4cc3c[n+]2C)c(C)c2ccccc12.Cc1c(-c2nc3cc4ccccc4cc3c[n+]2C)cc(C(C)(C)C)c2ccccc12.Cc1cc(C)c(C)c(-c2nc3cc4ccc(C(F)(F)F)cc4cc3c[n+]2C)c1.Cc1ccc2ccccc2c1-c1nc2cc3ccccc3cc2c[n+]1C
• InChI: InChI=1S/C28H27N2.C25H21N2O.C24H19N2.C23H20F3N2/c1-18-22-12-8-9-13-23(22)25(28(2,3)4)16-24(18)27-29-26-15-20-11-7-6-10-19(20)14-21(26)17-30(27)5;1-16-20-10-6-7-11-21(20)24(28-3)14-22(16)25-26-23-13-18-9-5-4-8-17(18)12-19(23)15-27(25)2;1-16-11-12-17-7-5-6-10-21(17)23(16)24-25-22-14-19-9-4-3-8-18(19)13-20(22)15-26(24)2;1-13-7-14(2)15(3)20(8-13)22-27-21-11-16-5-6-19(23(24,25)26)10-17(16)9-18(21)12-28(22)4/h6-17H,1-5H3;4-15H,1-3H3;3-15H,1-2H3;5-12H,1-4H3/q4*+1
• InChIKey: MMIRXYVIMXMYBG-UHFFFAOYSA-N
• XLogP: 23.15
• TPSA: 76.31 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1473.84
LogP ≤ 5	23.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;2-(4-methoxy-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylnaphthalen-1-yl)benzo[g]quinazolin-3-ium;3-methyl-7-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium?

The IUPAC name of 2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;2-(4-methoxy-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylnaphthalen-1-yl)benzo[g]quinazolin-3-ium;3-methyl-7-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium (CID 162205197) is 2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;2-(4-methoxy-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylnaphthalen-1-yl)benzo[g]quinazolin-3-ium;3-methyl-7-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium.

What is the SMILES notation for 2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;2-(4-methoxy-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylnaphthalen-1-yl)benzo[g]quinazolin-3-ium;3-methyl-7-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium?

The canonical SMILES for 2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;2-(4-methoxy-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylnaphthalen-1-yl)benzo[g]quinazolin-3-ium;3-methyl-7-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium is COc1cc(-c2nc3cc4ccccc4cc3c[n+]2C)c(C)c2ccccc12.Cc1c(-c2nc3cc4ccccc4cc3c[n+]2C)cc(C(C)(C)C)c2ccccc12.Cc1cc(C)c(C)c(-c2nc3cc4ccc(C(F)(F)F)cc4cc3c[n+]2C)c1.Cc1ccc2ccccc2c1-c1nc2cc3ccccc3cc2c[n+]1C.

What is the InChIKey of 2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;2-(4-methoxy-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylnaphthalen-1-yl)benzo[g]quinazolin-3-ium;3-methyl-7-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium?

The InChIKey is MMIRXYVIMXMYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N2.C25H21N2O.C24H19N2.C23H20F3N2/c1-18-22-12-8-9-13-23(22)25(28(2,3)4)16-24(18)27-29-26-15-20-11-7-6-10-19(20)14-21(26)17-30(27)5;1-16-20-10-6-7-11-21(20)24(28-3)14-22(16)25-26-23-13-18-9-5-4-8-17(18)12-19(23)15-27(25)2;1-16-11-12-17-7-5-6-10-21(17)23(16)24-25-22-14-19-9-4-3-8-18(19)13-20(22)15-26(24)2;1-13-7-14(2)15(3)20(8-13)22-27-21-11-16-5-6-19(23(24,25)26)10-17(16)9-18(21)12-28(22)4/h6-17H,1-5H3;4-15H,1-3H3;3-15H,1-2H3;5-12H,1-4H3/q4*+1.

What are the key properties of 2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;2-(4-methoxy-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylnaphthalen-1-yl)benzo[g]quinazolin-3-ium;3-methyl-7-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium?

2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;2-(4-methoxy-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylnaphthalen-1-yl)benzo[g]quinazolin-3-ium;3-methyl-7-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium has a molecular weight of 1473.84 g/mol, XLogP of 23.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;2-(4-methoxy-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylnaphthalen-1-yl)benzo[g]quinazolin-3-ium;3-methyl-7-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium is sourced from PubChem (CID 162205197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).